3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine

C16H23N3O — CID 103932597

IUPAC3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H23N3O/c1-6-14-15(10-19(4)18-14)17-12(3)13-9-11(2)7-8-16(13)20-5/h7-10,12,17H,6H2,1-5H3
InChIKeyNFXQMIZVRQMJSP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.47
Rot. Bonds5

About 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine

3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 103932597) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
PubChem CID103932597
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1cc(C)ccc1OC
InChIInChI=1S/C16H23N3O/c1-6-14-15(10-19(4)18-14)17-12(3)13-9-11(2)7-8-16(13)20-5/h7-10,12,17H,6H2,1-5H3
InChIKeyNFXQMIZVRQMJSP-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932643
N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 136571896
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932506
5-bromo-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 63455888
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine (CID 103932597) is 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)c1cc(C)ccc1OC.
What is the InChIKey of 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is NFXQMIZVRQMJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-14-15(10-19(4)18-14)17-12(3)13-9-11(2)7-8-16(13)20-5/h7-10,12,17H,6H2,1-5H3.
What are the key properties of 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103932597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).